Geometry & MOs

Info

ID:

49541

PubChem CID:

11533208

Reduced:

BrO5C25H27 (1)

Stoich.:

AB5C25D27 (1)

Weight, g/mol:

487.144372

ΔHf, kcal/mol:

-167.42

Dipole, Da:

6.65

IP(EA), eV:

 -9.21(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;(2S)-2-[[4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/[C@@H]1[C@@]2(C[C@@H](C=CC2=O)OC(=O)C3=CC=C(C=C3)Br)CC(=O)O1)/C)C

DOS

IR

Vibrations